Ammonia → 2-cyclopropyl-2-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yloxy)acetamide

HRID 122217Notes

Reaction equation

HRID 122217 reaction equation
[CH3:1][O:2][C:3]([CH:4]([O:5][c:6]1[cH:7][c:8]2[c:9]([cH:26][cH:27]1)-[c:10]1[n:11][c:12](-[c:18]3[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]3)[cH:13][n:14]1[CH2:15][CH2:16][O:17]2)[CH:28]1[CH2:29][CH2:30]1)=[O:31].[CH3:33][OH:34].[NH3:32]>>[O:2]=[C:3]([CH:4]([O:5][c:6]1[cH:7][c:8]2[c:9]([cH:26][cH:27]1)-[c:10]1[n:11][c:12](-[c:18]3[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]3)[cH:13][n:14]1[CH2:15][CH2:16][O:17]2)[CH:28]1[CH2:29][CH2:30]1)[NH2:32]

Participants

4

Reactant 3

HCID 222AmmoniaHCID 887MethanolHCID 58204945Cyclopropyl-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yloxy]-acetic acid methyl ester

Product 1

HCID 582047862-cyclopropyl-2-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yloxy)acetamide

Sources & evidence

ORD record
ord-a6e54582d7ca4a40b68fe2dc729a6458
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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